Geometry & MOs

Info

ID:	180694
PubChem CID:	76670122
Reduced:	N2H18C27 (1)
Stoich.:	A2B18C27 (1)
Weight, g/mol:	798.510257
ΔH_f, kcal/mol:	137.19
Dipole, Da:	3.42
IP(EA), eV:	-8.47(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[21-amino-17-(6-aminohexanoylamino)-10-carboxy-8,16-dioxohenicosanoyl]amino]pentylcarbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC2=CC3=C(C=C2)N4C5=CC=CC=C5C6=CC=CC=C6C4=N3

DOS

IR

Vibrations